2-bromo-6-ethyl-4-methylquinoline

C12H12BrN — CID 82580979

IUPAC2-bromo-6-ethyl-4-methylquinoline
SMILESCCc1ccc2nc(Br)cc(C)c2c1
InChIInChI=1S/C12H12BrN/c1-3-9-4-5-11-10(7-9)8(2)6-12(13)14-11/h4-7H,3H2,1-2H3
InChIKeyWSAXVFRTPOEVJQ-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.87
Rot. Bonds1

About 2-bromo-6-ethyl-4-methylquinoline

2-bromo-6-ethyl-4-methylquinoline (PubChem CID 82580979) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-6-ethyl-4-methylquinoline.

Molecular Properties

Compound Name2-bromo-6-ethyl-4-methylquinoline
PubChem CID82580979
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name2-bromo-6-ethyl-4-methylquinoline
SMILESCCc1ccc2nc(Br)cc(C)c2c1
InChIInChI=1S/C12H12BrN/c1-3-9-4-5-11-10(7-9)8(2)6-12(13)14-11/h4-7H,3H2,1-2H3
InChIKeyWSAXVFRTPOEVJQ-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
2-(6-ethyl-4-methylquinolin-2-yl)acetamide
CID 82575332
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
(6-ethyl-4-methylquinolin-2-yl) trifluoromethanesulfonate
CID 58219895
2,6-diethyl-3-methylquinolin-4-amine
CID 63560722
4-chloro-6-ethyl-3-iodo-2-methylquinoline
CID 121236850
(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol
CID 67441137
(6-ethyl-2-methylquinolin-4-yl)hydrazine
CID 17040004
9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473
2-(6-ethyl-2-methylquinolin-4-yl)propan-2-amine
CID 82448244
6-ethyl-2,4-diphenylquinoline
CID 132522547

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-4-methylquinoline?
The IUPAC name of 2-bromo-6-ethyl-4-methylquinoline (CID 82580979) is 2-bromo-6-ethyl-4-methylquinoline.
What is the SMILES notation for 2-bromo-6-ethyl-4-methylquinoline?
The canonical SMILES for 2-bromo-6-ethyl-4-methylquinoline is CCc1ccc2nc(Br)cc(C)c2c1.
What is the InChIKey of 2-bromo-6-ethyl-4-methylquinoline?
The InChIKey is WSAXVFRTPOEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-3-9-4-5-11-10(7-9)8(2)6-12(13)14-11/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-6-ethyl-4-methylquinoline?
2-bromo-6-ethyl-4-methylquinoline has a molecular weight of 250.14 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-4-methylquinoline is sourced from PubChem (CID 82580979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).